SCHEMBL6046472

SCHEMBL6046472

O=C(O)c1ccc2c(c1)CCc1ccccc1N2

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.63
SRD5A2 P31213 5/20 0.58
SRD5A1 P18405 4/20 0.58
MAPT P10636 3/20 0.55
KDM4E B2RXH2 2/20 0.55
ALOX5 P09917 1/20 0.50
CRBN Q96SW2 2/20 0.49
NPC1 O15118 1/20 0.49
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
MAPK14 Q16539 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PYGL P06737 1/20 0.42
PYGM P11217 1/20 0.42
PTK2B Q14289 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4801160 0.90 MAPT (0.56) SIRT2SRD5A2SRD5A1MAPTKDM4E
SCHEMBL1545660 0.81 SIRT2 (0.58) SIRT2MAPTKDM4ECRBNNPC1
SCHEMBL939611 0.81 SMYD3 (0.59) SRD5A2SRD5A1MAPTKDM4ECRBN
SCHEMBL29995492 0.81 SMYD3 (0.59) SRD5A2SRD5A1MAPTKDM4ECRBN
SCHEMBL28380734 0.80 KDM4E (0.54) SIRT2SRD5A2SRD5A1MAPTKDM4E
Succinimide SCHEMBL9294241 0.80 SMYD3 (0.58) SRD5A2SRD5A1MAPTKDM4ECRBN
SCHEMBL6046457 0.78 SIRT2 (0.57) SIRT2SRD5A2SRD5A1MAPTKDM4E
SCHEMBL31304865 0.78 KDM4E (0.53) SIRT2SRD5A2SRD5A1MAPTKDM4E
SCHEMBL940361 0.75 MAPT (0.62) MAPTKDM4ECRBNALDH1A1
SCHEMBL407439 0.75 NPC1 (0.70) SIRT2MAPTKDM4ENPC1MAPK13

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252679-A1 Preventive and/or trerapeutic drgs for itch KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-09 US disclosed
US-20060239999-A1 Preventive and/or therapeutic drugs for asthma KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-10-26 US disclosed
EP-1547616-A1 PREVENTIVE AND/OR THERAPEUTIC DRUGS FOR ITCH KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-06-29 EP disclosed
EP-1537879-A1 PREVENTIVE AND/OR THERAPEUTIC DRUGS FOR ASTHMA KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-06-08 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060239999-A1 Preventive and/or therapeutic drugs for asthma GPR4, HRH4, GPR3 SIRT2 1088/4885SRD5A2 1274/4885SRD5A1 1326/4885
US-20060252679-A1 Preventive and/or trerapeutic drgs for itch GPR4, TRPV1, TRPV4 SIRT2 1886/4885SRD5A2 1943/4885SRD5A1 1766/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.